Chlorine in PDB 6zrg: Crystal Structure of Oxa-10LOOP48 in Complex with Hydrolyzed Doripenem

All present enzymatic activity of Crystal Structure of Oxa-10LOOP48 in Complex with Hydrolyzed Doripenem:
3.5.2.6;

The structure of Crystal Structure of Oxa-10LOOP48 in Complex with Hydrolyzed Doripenem, PDB code: 6zrg was solved by G.Tassone, F.Di Pisa, M.Benvenuti, F.De Luca, C.Pozzi, J.D.Docquier, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.39 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.563, 93.674, 126.381, 90, 90, 90
R / Rfree (%)	18.3 / 22

The binding sites of Chlorine atom in the Crystal Structure of Oxa-10LOOP48 in Complex with Hydrolyzed Doripenem (pdb code 6zrg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Oxa-10LOOP48 in Complex with Hydrolyzed Doripenem, PDB code: 6zrg:

Chlorine binding site 1 out of 1 in the Crystal Structure of Oxa-10LOOP48 in Complex with Hydrolyzed Doripenem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Oxa-10LOOP48 in Complex with Hydrolyzed Doripenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:10.2 occ:0.70 O A:HOH457 3.3 16.2 1.0 NE2 A:GLN121 3.3 11.1 1.0 NH1 A:ARG211 3.3 14.4 1.0 NH2 A:ARG211 3.3 15.9 1.0 CZ A:ARG211 3.7 14.6 1.0 CD A:GLN121 4.2 12.9 1.0 OE1 A:GLN121 4.3 12.5 1.0 CD1 A:LEU155 4.4 14.4 1.0 O A:HOH556 4.7 20.4 1.0

G.Tassone, F.Di Pisa, M.Benvenuti, F.De Luca, C.Pozzi, J.D.Docquier, S.Mangani. Mechanistic Insights Into Carbapenem Hydrolysis By Oxa-48 and the OXA10-Derived Hybrids Oxa-10 LOOP24 and LOOP48 To Be Published.